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16224-36-5 | Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis[(dimethylamino)methyl]-
CAS No: 16224-36-5 Catalog No: AG001SX8 MDL No:
Product Description
Catalog Number:
AG001SX8
Chemical Name:
Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis[(dimethylamino)methyl]-
CAS Number:
16224-36-5
Molecular Formula:
C27H44N4O2
Molecular Weight:
456.6639
IUPAC Name:
4-[2-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]propan-2-yl]-2,6-bis[(dimethylamino)methyl]phenol
InChI:
InChI=1S/C27H44N4O2/c1-27(2,23-11-19(15-28(3)4)25(32)20(12-23)16-29(5)6)24-13-21(17-30(7)8)26(33)22(14-24)18-31(9)10/h11-14,32-33H,15-18H2,1-10H3
InChI Key:
LLIYAFSMVQLZQF-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(cc(c1O)CN(C)C)C(c1cc(CN(C)C)c(c(c1)CN(C)C)O)(C)C)C
EC Number:
605-281-9
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.346g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.675g/mol
Monoisotopic Mass:
456.346g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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